N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide

C15H21FN2O2 — CID 159419183

IUPACN-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide
SMILESCC/C(=C\F)COc1ccc(C(=O)NC(C)(C)C)nc1
InChIInChI=1S/C15H21FN2O2/c1-5-11(8-16)10-20-12-6-7-13(17-9-12)14(19)18-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,18,19)/b11-8+
InChIKeyWROBQFOPIKDCCI-DHZHZOJOSA-N
MW280.34 g/mol
LogP3.25
Rot. Bonds5

About N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide

N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide (PubChem CID 159419183) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide
PubChem CID159419183
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide
SMILESCC/C(=C\F)COc1ccc(C(=O)NC(C)(C)C)nc1
InChIInChI=1S/C15H21FN2O2/c1-5-11(8-16)10-20-12-6-7-13(17-9-12)14(19)18-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,18,19)/b11-8+
InChIKeyWROBQFOPIKDCCI-DHZHZOJOSA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzamide
CID 71812247
[2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium
CID 148846324
5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795048
tert-butyl (E)-4-[[6-(diethylcarbamoyl)-3-pyridinyl]oxymethyl]-5-fluoropent-4-enoate
CID 159327454
5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride
CID 155141729
4-[2-(aminomethyl)-3-chloroprop-2-enoxy]-N-tert-butylbenzamide
CID 123775448
N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109195102
2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid
CID 119086981
5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;tert-butyl (E)-4-[[6-(diethylcarbamoyl)-3-pyridinyl]oxymethyl]-5-fluoropent-4-enoate;hydrochloride
CID 159327453
5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79794697
1-(2,2-dimethylpropylsulfonyl)-4-[(2Z)-2-(fluoromethylidene)butoxy]benzene
CID 159986554
N-tert-butyl-5-hydrazinylpyridine-2-carboxamide
CID 104642324

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide (CID 159419183) is N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide is CC/C(=C\F)COc1ccc(C(=O)NC(C)(C)C)nc1.
What is the InChIKey of N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide?
The InChIKey is WROBQFOPIKDCCI-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-5-11(8-16)10-20-12-6-7-13(17-9-12)14(19)18-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,18,19)/b11-8+.
What are the key properties of N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide?
N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide is sourced from PubChem (CID 159419183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).